SCHEMBL9572002

SCHEMBL9572002

Cc1[nH]c2ccccc2c1C1=C(C2=CC(=O)c3ccccc3C2=O)C=CCC1=S

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.47
HKDC1 Q2TB90 1/20 0.47
PTPRC P08575 2/20 0.40
CDC25B P30305 2/20 0.33
BACE1 P56817 2/20 0.33
PTPRF P10586 1/20 0.33
PTPN1 P18031 1/20 0.33
IMPDH2 P12268 1/20 0.33
CAMK2D Q13557 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 3/20 0.32
GAA P10253 2/20 0.32
KDM4E B2RXH2 2/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTT P42858 1/20 0.32
RAD52 P43351 1/20 0.32
HTR6 P50406 1/20 0.32
LMNA P02545 3/20 0.32
MEN1 O00255 2/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9562286 0.80 CCR6 (0.62) CCR6HKDC1PTPRCCDC25BBACE1
SCHEMBL9572020 0.74 PTPRC (0.53) PTPRCPRKCAGSK3B
SCHEMBL8992318 0.72 PTPRC (0.70) CCR6HKDC1PTPRCCDC25BPTPRF
SCHEMBL9561901 0.72 CCR6 (0.56) CCR6HKDC1PTPRCIMPDH2CAMK2D
SCHEMBL9561922 0.70 CCR6 (0.51) CCR6HKDC1PTPRCIMPDH2CAMK2D
SCHEMBL9571998 0.67 PTPRC (0.51) CCR6HKDC1PTPRCCDC25BBACE1
SCHEMBL9572012 0.66 BACE1 (0.57) CCR6HKDC1PTPRCCDC25BBACE1
SCHEMBL9562546 0.66 BACE1 (0.57) CCR6HKDC1PTPRCCDC25BBACE1
SCHEMBL9572001 0.66 PTPRC (0.50) CCR6HKDC1PTPRCCDC25BIMPDH2
SCHEMBL9572023 0.66 MEN1 (0.51) CCR6HKDC1PTPRCIMPDH2CAMK2D

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0560683-A1 Hair coloring compositions with monoindolyl-1,4-naphthoquinones or their leuko derivatives, new monoindolyl-1,4-naphthoquinones and their leukoderivatives L'OREAL (FR) 1993-09-15 EP claimed
EP-0560683-A1 Hair coloring compositions with monoindolyl-1,4-naphthoquinones or their leuko derivatives, new monoindolyl-1,4-naphthoquinones and their leukoderivatives L'OREAL (FR) 1993-09-15 EP disclosed